General Information of the Compound
| Compound ID |
CP0034916
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| Compound Name |
3-{3,5-dibromo-4-[(3-bromophenyl)methoxy]phenyl}propanoic acid
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| Structure |
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| Formula |
C16H13Br3O3
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| Molecular Weight |
492.989
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| Canonical SMILES |
OC(=O)CCc1cc(Br)c(OCc2cccc(Br)c2)c(Br)c1
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| InChI |
InChI=1S/C16H13Br3O3/c17-12-3-1-2-11(6-12)9-22-16-13(18)7-10(8-14(16)19)4-5-15(20)21/h1-3,6-8H,4-5,9H2,(H,20,21)
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| InChIKey |
LKIKBJBECFALSP-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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